@<TRIPOS>MOLECULE
DB04002
39 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1    -0.6907    -1.4772    -0.0379	S	1	noname	-0.1194
2	O1    -0.1271    -2.7586     0.7160	O.2	1	noname	-0.1995
3	O2    -1.4682    -1.9324    -1.3481	O.2	1	noname	-0.1995
4	N1    -1.7740    -0.6217     1.0083	N.3	1	noname	-0.0105
5	C1     0.6239    -0.4422    -0.4778	C.2	1	noname	0.0328
6	C2     1.0514     0.5487     0.3982	C.2	1	noname	0.0264
7	C3     1.2526    -0.6016    -1.7072	C.2	1	noname	0.0264
8	C4     2.1077     1.3802     0.0448	C.2	1	noname	0.0060
9	C5     2.3089     0.2300    -2.0606	C.2	1	noname	0.0060
10	C6     2.7365     1.2209    -1.1846	C.2	1	noname	0.0163
11	C7     3.7927     2.0524    -1.5380	C.2	1	noname	0.0161
12	O3     4.3581     1.9091    -2.6435	O.2	1	noname	-0.2959
13	N2     4.2049     3.0077    -0.6935	N.3	1	noname	-0.0777
14	C8     5.2764     3.8513    -1.0520	C.3	1	noname	0.0030
15	C9     5.5434     4.8456     0.0798	C.3	1	noname	-0.0390
16	C10     6.7060     5.7609    -0.3092	C.3	1	noname	-0.0394
17	C11     6.9730     6.7552     0.8226	C.3	1	noname	-0.0040
18	N3     8.0840     7.6298     0.4509	N.3	1	noname	-0.3080
19	C12     8.3392     8.5800     1.5324	C.3	1	noname	0.0388
20	S2     9.7070     9.6568     1.0748	S.3	1	noname	-0.1637
21	H1    -1.5477     0.3142     1.3133	H	1	noname	0.1404
22	H2    -2.6319    -1.0587     1.3133	H	1	noname	0.1404
23	H3     0.5584     0.6737     1.3623	H	1	noname	0.0639
24	H4     0.9174    -1.3787    -2.3941	H	1	noname	0.0639
25	H5     2.4430     2.1573     0.7318	H	1	noname	0.0631
26	H6     2.8019     0.1050    -3.0246	H	1	noname	0.0631
27	H7     3.7211     3.0897     0.1893	H	1	noname	0.1313
28	H8     6.1427     3.1957    -1.1397	H	1	noname	0.0433
29	H9     4.9257     4.4102    -1.9196	H	1	noname	0.0433
30	H10     4.6586     5.4772     0.1591	H	1	noname	0.0280
31	H11     5.8756     4.2627     0.9389	H	1	noname	0.0280
32	H12     7.5908     5.1293    -0.3884	H	1	noname	0.0280
33	H13     6.3738     6.3438    -1.1682	H	1	noname	0.0280
34	H14     6.0984     7.4002     0.9068	H	1	noname	0.0428
35	H15     7.3154     6.1857     1.6867	H	1	noname	0.0428
36	H16     8.5961     7.5847    -0.4185	H	1	noname	0.1230
37	H17     7.4121     9.1509     1.5832	H	1	noname	0.0542
38	H18     8.6291     7.9364     2.3630	H	1	noname	0.0542
39	H19    10.2900    10.1157     2.1665	H	1	noname	0.1035
@<TRIPOS>BOND
1	1	2	2
2	1	3	2
3	1	4	1
4	1	5	1
5	5	6	2
6	5	7	1
7	6	8	1
8	7	9	2
9	8	10	2
10	9	10	1
11	10	11	1
12	11	12	2
13	11	13	1
14	13	14	1
15	14	15	1
16	15	16	1
17	16	17	1
18	17	18	1
19	18	19	1
20	19	20	1
21	4	21	1
22	4	22	1
23	6	23	1
24	7	24	1
25	8	25	1
26	9	26	1
27	13	27	1
28	14	28	1
29	14	29	1
30	15	30	1
31	15	31	1
32	16	32	1
33	16	33	1
34	17	34	1
35	17	35	1
36	18	36	1
37	19	37	1
38	19	38	1
39	20	39	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1